4-[5-(4-fluorophenyl)-6-methyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[5-(4-fluorophenyl)-6-methyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl]thio]butanenitrile IUPAC Name: 4-[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[5-(4-fluorophenyl)-4-keto-6-methyl-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]thio]butyronitrile Formula: C23H18FN3OS2 MolecularWeight: 435.536923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCCCC#N)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCCCC#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H18FN3OS2/c1-15-19(16-9-11-17(24)12-10-16)20-21(30-15)26-23(29-14-6-5-13-25)27(22(20)28)18-7-3-2-4-8-18/h2-4,7-12H,5-6,14H2,1H3